Electronic structures of Heusler alloy Co2FeAl1-xSix surface

We have calculated the electronic structures of Co2FeAl1-xSix(101) surface using first-principles method based on the density functional theory. Because of the surface effect, the minority spin band gap at the Fermi level disappears at the surface of bulk Co2FeAl1-xSix. However, beneath the surface, the minority spin gap opens at the Fermi level, which indicates that the electronic structures of Co2FeAl1-xSix(101) be-come close to that of bulk phase. Accordingly, the Co2FeAl1-xSix(101) surface is a composite tri-layer structure that corresponds to the weakening of half-metallic property in Co2FeAl1-xSix films. Even though, the spin polarization of Co2FeAl1-xSix(101) surface is still larger than that of Co2FeAl or Co2FeSi materials, making Co2FeAl1-xSix a promising spintronics material.     

Connectionism;Backpropagation;Structure;Interpretation;Symbolic Logic

A particular backpropagation network, called a network of value units, was trained to detect problem type and validity of a set of logic problems. This network differs from standard networks in using a Gaussian activation function. After training was successfully completed, jittered density plots were computed for each hidden unit, and used to represent the distribution of activations produced in each hidden unit by the entire training set. The density plots revealed a marked banding. Further analysis revealed that almost all of these bands could be assigned featural interpretations, and played an important role in explaining how the network classified input patterns. These results are discussed in the context of other techniques for analyzing network structure, and in the context of other parallel distributed processing architectures.     

Andreev reflections in a Bi<Subscript>1.8</Subscript>Pb<Subscript>0.3</Subscript>Sr<Subscript>1.9</Subscript>Ca<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>x</Subscript> break junction

The current-voltage characteristic (CVC) of a break junction made from polycrystalline Bi_1.8Pb_0.3Sr_1.9Ca₂Cu₃O_x is investigated. The experimental CVC has a hysteretic feature that reflects part of the curve with a negative differential resistance. The CVC is discussed within the framework of the Kümmel-Gunsenheimer-Nicolsky theory that takes into account multiple Andreev reflections in superconductor/normalmetal/superconductor junctions.     

Connectionism;Neural Networks;Learning;Ambiguities;Reading

After a brief review of the different types and causes of ambiguous training data and the problems of learning from such data, a class of multi-target models are presented which suggest that neural networks are even better at solving these problems than previously realized. They are able to learn which non-ambiguous subset of a larger ambiguous set of training data best captures any underlying regularities in that data and hence optimize generalization while minimizing the problems of overtraining. It is also shown how the deliberate generation of ambiguous training data can begin to solve some of the longstanding representational problems of mapping time sequences, such as the alignment problem for reading and spelling. The general ideas are illustrated throughout with the well-known problem of tex-to-phoneme conversion, and detailed results of a range of neural network simulations are presented.     

Preparation and characterization of nanostructured Bi<Subscript>2</Subscript>Se<Subscript>3</Subscript> and Sn<Subscript>0.5</Subscript>-Bi<Subscript>2</Subscript>Se<Subscript>3</Subscript>

Nanostructured Bi₂Se₃ and Sn_0.5-Bi₂Se₃ were successfully synthesized by hydrothermal coreduction from SnCl₂·H₂O and the oxides of Bi and Se. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and field emission scanning electron microscope (FESEM). Bi₂Se₃ powders obtained at 180°C and 150°C consist of hexagonal flakes of 50–150 nm in side length and nanorods of 30–100 nm in diameter and more than 1 μm in length. The product obtained at 120°C is composed of thin irregular nanosheets with a size of 100–200 nm and several nanometers in thickness. The major phase of Sn_0.5-Bi₂Se₃ synthesized at 180°C is similar to that of Bi₂Se₃. Sn_0.5-Bi₂Se₃ powders are primarily nanorod structures, but small amount of powders demonstrate irregular morphologies.     

Magnetoelectrical effect in layered composites PbZr<Subscript>0.53</Subscript>Ti<Subscript>0.47</Subscript>O<Subscript>3</Subscript>-Mn<Subscript>0.4</Subscript>Zn<Subscript>0.6</Subscript>Fe<Subscript>2</Subscript>O<Subscript>4</Subscript>

The magnetoelectric (ME) effect in two- and three-layered composites made up of polarized ceramic plates of lead zirconate-titanate PbZr_0.53Ti_0.47O₃ (PZT) and manganese-zinc ferrite Mn_0.4Zn_0.6Fe₂O₄ (MZF) has been studied. Dependences of the transverse ME voltage coefficient (α₃₁) on the magnetostrictive layer thickness and the magnetic field intensity and frequency have been established. The mechanical coupling coefficient of the composite plates has been estimated. Results obtained for two-layered PZT-MZF structures have been analyzed using the method of efficient medium parameters.     

New ternary compound La<Subscript>8</Subscript>Al<Subscript>13</Subscript>Sn<Subscript>3</Subscript>

A new ternary compound La₈Al₁₃Sn₃ was synthesized and studied by means of X-ray powder diffraction technique. The compound La₈Al₁₃Sn₃ crystallizes in a hexagonal AlB₂-type structure with space group P6/mmm (No. 191) and the lattice parameters a = 0.44919(1) nm and c = 0.43835(1) nm. The Smith and Snyder figure of merit for index, F _N , is F ₃₀ = 197.3(30). The Rietveld refinement for the crystal structure of the compound was carried out successfully. The liability R-factors of Rietveld refinement are R _p = 0.114 and R _wp = 0.148. The compound La₈Al₁₃Sn₃ decomposes into LaAl₂ with cubic structure and space group Fd $ \bar 3 $ \bar 3 m (227), LaAl₃ with hexagonal structure and space group P6₃/mmc (194), and Sn at 720°C.     

Enhancement of room-temperature magnetoresistance in La<Subscript>0.6</Subscript>Dy<Subscript>0.1</Subscript>Sr<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript>/Ag<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>

The samples of La0.6Dy0.1Sr0.3MnO3/(Ag2O)x/2(x = 0.00, 0.02, 0.04, 0.06, 0.08, 0.10, 0.20, 0.25, and 0.30) were prepared by using the solid-state reaction method.Their magnetic property, transport behavior, transport mechanism and magnetoresistance effect were studied through the measurements of magnetization-temperature(M-T) curves, ρ-T curves and the fitting of ρ-T curves.The results indicated that Ag could take part in the reaction when the doping amount is small.However, when the doping amount is compar...     

Fe₇₃Si₁₅Nb₃B₈Cu₁铁芯薄带的热处理工艺研究

本文对用Finemet型Fe73Si15Nb3B8Cu1快淬薄带制备的铁芯增加预退火处理,再在540 oC晶化退火处理得到退火铁芯。结果表明,随着预退火温度提高,预退火的薄带及再经晶化退火的薄带的韧性均逐渐降低,预退火后非晶薄带的第一晶化温度变化不大,而第二晶化峰值温度向高温方向偏移,预退火扩大了非晶薄带晶化退火的温度范围,有利于获得性能更加稳定的非晶纳米晶薄带;增加预退火处理的薄带的晶粒尺寸比直接晶化退火薄带的晶粒分布更均匀,其中在450 oC预退火的薄带经晶化退火后,晶粒尺寸在8~15 nm之间。增加预退火的铁芯样品,其振幅磁导率和铁损较直接退火的均有明显改善,其中经450 oC预退火的铁芯具有最大的振幅磁导率（μa=8.6×104, f=10 kHz）和最小的交流铁损（P0.5/10k=8.7 W/kg）,分别较直接退火的铁芯升高了16.0%,下降了17.1%。     

Up-Date of a Thermodynamic Database of the ZrO<Subscript>2</Subscript>-Gd<Subscript>2</Subscript>O<Subscript>3</Subscript>-Y<Subscript>2</Subscript>O<Subscript>3</Subscript>-Al<Subscript>2</Subscript>O<Subscript>3</Subscript> System for TBC Applications

The thermodynamic database of the ZrO₂-Gd₂O₃-Y₂O₃-Al₂O₃ system is up-dated taking into account new data on lattice stabilities of ZrO₂, Gd₂O₃ and Y₂O₃ and heat capacity measurements for the monoclinic phase Gd₄Al₂O₉ and phase with garnet structure Gd₃Al₅O₁₂. New data for the heat capacities of Gd₂Zr₂O₇ (pyrochlore) and GdAlO₃ (perovskite) as well as on the enthalpy of formation of fluorite solid solutions (Zr_1−x Gd _x )O_2−x/2 were found to be in good agreement with calculated results. In comparison with the previous assessment, taking into account new experimental data resulted in a change of the melting character of the Gd₄Al₂O₉ phase from a peritectic one to a congruent one in the Gd₂O₃-Al₂O₃ system. Correspondently, in the ternary system ZrO₂-Gd₂O₃-Al₂O₃, the melting character of the three-phase assemblage Gd₂O₃ (B), Gd₄Al₂O₉ and GdAlO₃ changed from eutectic to transition type U. The T ₀-lines for T/M and F/T diffusionless transformations and driving force of partitioning to equilibrium assemblage T + F were calculated in the ZrO₂-Gd₂O₃-Y₂O₃ system.     

Magnetocaloric effect of （Gd1-xCex）Co2 compounds in low magnetic fields

The phases in the compounds (Gd_1−x Ce _x )Co₂ with x = 0, 0.1, 0.2, 0.3, 0.4, and 0.5 were investigated by X-ray diffraction, and the magnetocaloric effect for x = 0–0.4 was studied by magnetization measurements. The samples are almost single phase with a cubic MgCu₂-type structure for x = 0–0.5. The magnetization decreases with an increase in Ce content. There is almost no magnetic transition for x = 0.5 at 100–350 K. The Curie temperature (T _c) of the (Gd_1−x Ce _x )Co₂ compounds with x from 0.1 to 0.4 are 350, 344, 340, and 338 K respectively. The maximum magnetic entropy change is 2.34 J·kg⁻¹·K⁻¹ when x = 0.3. The results of Arrott plots show that the magnetic phase transition is second-order magnetic phase transition in these compounds.     

Microstructure and microwave dielectric properties of ZnO-B2O3 added （Ca0.254Li0.19Sm0.14）TiO3 ceramics

The effects of ZnO-B2O3 (ZB2) on the sintering behavior and microwave dielectric properties of (Ca0.254Li0.19Sm0.14)TiO3 ceramics were investigated.The densities of the specimens reached the maximum value by adding 3 wt.% ZB2 and then decreased.The sintering temperature of the specimens was lowered from 1300 to 1100°C without degradation of the microwave dielectric properties.The (Ca0.254Li0.19Sm0.14)TiO3 + 3 wt.% ZB2 sintered at 1100°C for 3 h showed good microwave dielectric properties,εr = 108.2,Qf = 6545 GHz,and τf = 6.5 ppm/°C,respectively,indicating that ZB2 was an effective sintering aid to improve the densification and microwave dielectric properties of (Ca0.254Li0.19Sm0.14)TiO3 ceramics.     

AgNO<Subscript>3</Subscript>-LiNO<Subscript>3</Subscript>-RbNO<Subscript>3</Subscript> phase diagram

The ternary system of silver, lithium, and rubidium nitrates has been studied. Five vertical sections were established: AgNO₃-Li_0.5Rb_0.5NO₃; Li_0.5Rb_0.5NO₃-Ag_0.5Rb_0.5NO₃; 20 mol% AgNO₃; 80 mol% AgNO₃; and the section 5 mol% LiNO₃. Ten invariant points were found. A schematic representation of ternary equilibria is given. The three binary systems are also reported.     

DyF&amp;lt;sub&amp;gt;3&amp;lt;/sub&amp;gt;掺杂热变形NdFeB磁体的微观结构和性能

基于热变形技术,研究制备了DyF3掺杂热变形NdFeB磁体的微观结构和磁性能。结果表明,通过热变形,磁体获得了具有明显C轴取向特征的扁平形状晶粒,其剩磁从前驱体烧结磁体的0.77 T提高至 1.34 T,提升了近74%。此外,热变形过程起到了晶界扩散的作用,使得DyF3进一步扩散至NdFeB主相之中,形成了(Nd, Dy)2Fe14B相,从而减小了因热变形带来的矫顽力损失。电化学测试表明,热变形过程可提高磁体腐蚀电位和减小电流密度。变形条件800 ℃/70%时,磁体具有最佳的综合磁性能和电化学性能,其磁性能可达：Br=1.34 T,Hcj=1225 kA/m和(BH)max=286 kJ/m3。     

TiAl合金表面阴极微弧沉积Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;陶瓷涂层的生长过程与相组成

目的：利用阴极微弧沉积技术在预处理后的TiAl合金表面制备了Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;陶瓷涂层,研究了涂层的生长过程和相组成。方法：采用电子扫描电镜(SEM、EDS)、电子透射电镜(TEM)、X射线衍射(XRD)等方法,对Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;涂层的生长过程中的微观形貌、组织成分以及晶体结构的演变进行了研究与分析。结果：TiAl合金表面阴极微弧沉积过程中,在阴极表面发生非晶态Al(OH)&lt;sub&gt;3&lt;/sub&gt;的吸附、脱水烧结形成Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;陶瓷涂层的沉积。结论：Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;涂层生长分前期Ⅰ、中期Ⅱ和后期Ⅲ三个阶段,前期起弧阻挡层被击穿,涂层生长较慢、组织致密且与基体结合良好;反应中期涂层生长较快,Al(OH)&lt;sub&gt;3&lt;/sub&gt;不断吸附和脱水烧结,涂层结晶度提高;反应后期涂层生长速度变缓,表层组织疏松、多孔,相组成为87.5 %的α–Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;和12.5 %的γ–Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;。     

Structure and properties of hydrogen-intercalated YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>

The effect of hydrogenation at 150 and 200°С on the structure and magnetic susceptibility of YBa₂Cu₃O_y (123) with different hydrogen contents has been studied. Upon the incorporation of hydrogen, the phase transition of the 123 phase into a defect tetragonal 124 phase occurs. In contrast to the transition upon hydration, the phase transition upon hydrogenation takes place only for compounds characterized by high oxygen contents (y > 6.5). Depending on the compound structure and oxygen content, hydrogen atoms can both occupy interstitials in Cu–O planes to form HYBa₂Cu₃O₆ and join with oxygen to form an oxide–hydroxide. In contrast to hydration, upon hydrogenation of YBa₂Cu₃O_y, the substitution of europium for yttrium and alloying with cerium and zirconium oxides do not block the intercalation of hydrogen into the structure of the 123 compound.     

Sol-gel preparation and characterization of Li1.3Al0.3Ti1.7（PO4）3 sintered with flux of LiBO2

Li_1.3Al_0.3Ti_1.7(PO₄)₃ pellets sintered with different mole fractions of LiBO₂ were prepared by sol-gel method. The structural identification, surface morphology, ionic conductivity, and activation energy of the pellets were studied by X-ray diffraction, scanning electron microscopy, and electrochemical impedance spectroscopy. The results show that all the Li_1.3Al_0.3Ti_1.7(PO₄)₃ pellets sintered with different mole fractions of LiBO₂ have similar X-ray diffraction patterns. The sintered pellet becomes denser and the boundary and corner of the particles become illegible with the increase of LiBO₂. Among the Li_1.3Al_0.3Ti_1.7(PO₃)₄ pellets sintered with different mole fractions of LiBO₂, the one sintered with 1 mol% LiBO₂ shows the highest ionic conductivity of 3.95×10⁻⁴ S.cm⁻¹ and the lowest activation energy of 0.2469 eV.     

Enhancement of room-temperature magnetoresistance in La0.5Sm0.2Sr0.3MnO3/（Ag2O）x/2

La0.5Sm0.2Sr0.3MnO3/(Ag2O)x/2 (x = 0.00, 0.04, 0.08, 0.25, 0.30) samples were prepared by the solid-state reaction method, and their transport behaviors, transport mechanism, and magnetoresistance effect were studied through the measurement and fitting of ρ-T curves. The results show that the element Ag takes part in reaction when the doping amount is small. Ag is mainly distributed at the grain boundary of the host material and is in metallic state when the doping amount is relatively large; then the system becomes a two-phase composite. A small amount of Ag doping can apparently increase grain-boundary magnetoresistance induced by the spin-dependent scattering. The resistivity of the sample doped with 30 mol% Ag is one order of magnitude smaller than that of low-doped samples, and its magnetoresistance in the magnetic field of 0.5 T and at 300 K is strengthened apparently reaching 9.4%, which is connected not only with the improvement of the grain-boundary structure of the host material but also with the decrease of material resistivity.     

Solvothermal synthesis and thermoelectric properties of skutterudite compound Fe（0.25）Ni（0.25）Co（0.5）Sb3

Nanostructured skutterudite-related compound Fe_0.25Ni_0.25Co_0.5Sb₃ was synthesized by a solvothermal method using FeCl₃, NiCl₂, CoCl₂, and SbCl₃ as the precursors and NaBH₄ as the reductant. The solvothermally synthesized powders consisted of fine granules with an average particle size of tens of nanometers. The bulk material was prepared by hot pressing the powders. Transport property measurements indicated a heavily doped semiconductor behavior with n-type conduction. The thermal conductivity is about 1.83 W·m⁻¹·K⁻¹ at room temperature and decreases to 1.57 W·m⁻¹·K⁻¹ at 673 K. The low thermal conductivity is attributed to small grain size and high porosity. A maximum dimensionless figure of merit of 0.15 is obtained at 673 K.     

Thermodynamic Assessment of PrCl<Subscript>3</Subscript>-CaCl<Subscript>2</Subscript> and NdCl<Subscript>3</Subscript>-CaCl<Subscript>2</Subscript> Systems

By using the CALPHAD technique, an assessment of the binary PrCl₃-CaCl₂ and NdCl₃-CaCl₂ systems have been carried out. From measured phase equilibrium data and experimental integral properties, the PrCl₃-CaCl₂ and NdCl₃-CaCl₂ phase diagrams were optimized and calculated. A set of thermodynamic functions has been optimized based on an interactive computer-assisted analysis. The calculated results by present method agree well with the experimental data.